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Sugi Predict / Compounds / SCHEMBL7583450

SCHEMBL7583450

SCHEMBL7583450

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C(=O)Nc2ccccc2)nc1OCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 1.00
▸ EDNRB P24530 12/20 1.00
▸ ABCC3 O15438 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ DHPS P49366 1/20 0.71
▸ NR1H3 Q13133 1/20 0.71
▸ NR1I3 Q14994 1/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7582530 0.91 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7949160 0.90 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7584814 0.89 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7588725 0.88 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7600949 0.88 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7598296 0.85 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7298083 0.85 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7296746 0.85 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8326901 0.85 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL2441280 0.85 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 — — EP claimed
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 — — US claimed
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 — — US disclosed